SCHEMBL14615578

SCHEMBL14615578

CC(C)[C@H]1NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc2ccc(OCCCNC(F)(F)F)cc2)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 11/20 0.48
▸ ITGAV P06756 11/20 0.48
▸ ITGB5 P18084 6/20 0.48
▸ ITGB1 P05556 5/20 0.48
▸ ITGA5 P08648 5/20 0.48
▸ KDM4A O75164 1/20 0.48
▸ PLAU P00749 1/20 0.47
▸ NNMT P40261 1/20 0.47
▸ CTSG P08311 2/20 0.46
▸ ITGB6 P18564 2/20 0.46
▸ ITGB8 P26012 2/20 0.46
▸ KRAS P01116 1/20 0.45
▸ KEAP1 Q14145 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44
▸ CACNA1B Q00975 1/20 0.44
▸ MC4R P32245 1/20 0.44
▸ MC5R P33032 1/20 0.44
▸ MC3R P41968 1/20 0.44
▸ MC1R Q01726 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14585801 0.91 ITGB3 (0.54) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL7744062 0.91 ITGB3 (0.54) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL7743645 0.91 ITGB3 (0.54) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL7746264 0.87 ITGB3 (0.47) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL8363710 0.87 ITGB3 (0.45) ITGB3ITGAVITGB5ITGB1ITGA5
Cyclorgdfv SCHEMBL25474158 0.86 ITGB3 (0.58) ITGB3ITGAVITGB5ITGB1ITGA5
Cyclorgdfv SCHEMBL19605449 0.86 ITGB3 (0.58) ITGB3ITGAVITGB5ITGB1ITGA5
Cyclorgdfv SCHEMBL29973120 0.86 ITGB3 (0.58) ITGB3ITGAVITGB5ITGB1ITGA5
Cyclorgdfv SCHEMBL19605549 0.86 ITGB3 (0.58) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL7738196 0.86 PLAU (0.50) ITGB3ITGAVITGB5ITGB1ITGA5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179446-B2 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-02-20 — — US disclosed
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